Research workbench
SMBRD3(2), second bromodomain of bromodomain 3 from schistosoma mansoni in complex with dm-a-33, an IBET726 analogue
Analyse SMBRD3(2), second bromodomain of bromodomain 3 from schistosoma mansoni in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AMH
- Type
- protein
- Length
- 226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative bromodomain-containing protein 3, BRD3
- UniProt
- A0A5K4EQL3
- Ligands
- RN5
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative bromodomain-containing protein 3, BRD3 | protein | 113 | 65% helix, 0% strand | A0A5K4EQL3 |
| B | Putative bromodomain-containing protein 3, BRD3 | protein | 113 | 67% helix, 0% strand | A0A5K4EQL3 |
Ligands and binding sites
- RN5 · 4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 413 | 0.69 | 0.81 | 59 | RN5 |
| 2 | 67 | 0.48 | 0.84 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 508 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7AMH · SmBRD3(2), Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A5K4EQL3
- Elsewhere: RCSB PDB 7AMH · PDBe 7AMH · UniProt A0A5K4EQL3
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